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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

1910171554
InChI=1S/BH6P/c1-2/h1-2H3 INChIKey=

HSEh1PBE/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3838   0.0000 1.3838 -0.0000
P2 0.0000 0.0000 0.5524   0.0000 -0.5524 0.0000
H3 0.0000 -1.1760 -1.6726   -1.1760 1.6726 -0.0000
H4 -1.0184 0.5880 -1.6726   0.5880 1.6726 1.0184
H5 1.0184 0.5880 -1.6726   0.5880 1.6726 -1.0184
H6 0.0000 1.2442 1.2167   1.2442 -1.2167 0.0000
H7 -1.0775 -0.6221 1.2167   -0.6221 -1.2167 1.0775
H8 1.0775 -0.6221 1.2167   -0.6221 -1.2167 -1.0775
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9363 1.2109 1.2109 1.2109 2.8829 2.8829 2.8829
P2 1.9363 2.5167 2.5167 2.5167 1.4104 1.4104 1.4104
H3 1.2109 2.5167 2.0368 2.0368 3.7690 3.1330 3.1330
H4 1.2109 2.5167 2.0368 2.0368 3.1330 3.1330 3.7690
H5 1.2109 2.5167 2.0368 2.0368 3.1330 3.7690 3.1330
H6 2.8829 1.4104 3.7690 3.1330 3.1330 2.1550 2.1550
H7 2.8829 1.4104 3.1330 3.1330 3.7690 2.1550 2.1550
H8 2.8829 1.4104 3.1330 3.7690 3.1330 2.1550 2.1550
Maximum atom distance is 3.7690Å between atoms H3 and H6.
picture of borane phosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 P2 H6 118.097 B1 P2 H7 118.097
B1 P2 H8 118.097 P2 B1 H3 103.796
P2 B1 H4 103.796 P2 B1 H5 103.796
H3 B1 H4 114.501 H3 B1 H5 114.501
H4 B1 H5 114.501 H6 P2 H7 99.630
H6 P2 H8 99.630 H7 P2 H8 99.630

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.